1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea

C7H11N3O2S — CID 130871132

IUPAC1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(OC)ns1
InChIInChI=1S/C7H11N3O2S/c1-8-7(11)9-4-5-3-6(12-2)10-13-5/h3H,4H2,1-2H3,(H2,8,9,11)
InChIKeySMXQJDLUUAIYGL-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.58
Rot. Bonds3

About 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea

1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea (PubChem CID 130871132) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea
PubChem CID130871132
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(OC)ns1
InChIInChI=1S/C7H11N3O2S/c1-8-7(11)9-4-5-3-6(12-2)10-13-5/h3H,4H2,1-2H3,(H2,8,9,11)
InChIKeySMXQJDLUUAIYGL-UHFFFAOYSA-N
XLogP0.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea (CID 130871132) is 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea is CNC(=O)NCc1cc(OC)ns1.
What is the InChIKey of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea?
The InChIKey is SMXQJDLUUAIYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-8-7(11)9-4-5-3-6(12-2)10-13-5/h3H,4H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea?
1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea has a molecular weight of 201.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-3-methylurea is sourced from PubChem (CID 130871132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).